HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Amino-1,3,4-thiadiazole-2-sulfonamide
5-AMino-1,3,4-thiadiazole-2-sulfonaMide Hydrochloride Salt · L 5343 · CL 5343 · Nsc22979 · Zolamide · Tio-urasin · Lavybens Refrence Standard RC-D · Acetazolamide Impurity 4 Monomer
Identifikatoren & physikalische Daten
| CAS No. | 14949-00-9 |
|---|---|
| Summenformel | C2H4N4O2S2 |
| Durchschnittliche Molmasse | 180,21 g/mol |
| Monoisotopische Masse | 179,97756737 g/mol |
| SMILES | Nc1nnc(S(N)(=O)=O)s1 |
| InChIKey | VGMVBPQOACUDRU-UHFFFAOYSA-N |
| PubChem CID | 84724 |
| ChEMBL | CHEMBL265674 |
| EC No. | 687-998-7 |
| DTXSID | DTXSID10164324 |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 149 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 208 |
| LogP (Verteilungskoeffizient) | -0.9 |
| Schmelzpunkt | 188-190°C |
| Siedepunkt | 484.2±28.0 °C(Predicted) |
| Dichte | 1.865±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.6440 (estimate) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)4.739g/L(15 ºC) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7.76±0.60(Predicted) |
| Farbe | White |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8) |
| InChIKey | VGMVBPQOACUDRU-UHFFFAOYSA-N |
| SMILES | S1C(N)=NN=C1S(N)(=O)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2935909550 |
| Toxizität | CL 5343 SODIUM SALT TIO-URASIN SODIUM ZOLAMIDE SOLUTION |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Acetazolamide intermediate.